General Information of the Compound
| Compound ID |
CP0512501
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| Compound Name |
benzyl N-[(2S,3S)-4-[(3,4-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
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| Formula |
C28H32Cl2N2O5S
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| Molecular Weight |
579.546
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| Canonical SMILES |
CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C28H32Cl2N2O5S/c1-20(2)17-32(38(35,36)23-13-14-24(29)25(30)16-23)18-27(33)26(15-21-9-5-3-6-10-21)31-28(34)37-19-22-11-7-4-8-12-22/h3-14,16,20,26-27,33H,15,17-19H2,1-2H3,(H,31,34)/t26-,27-/m0/s1
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| InChIKey |
DCXNIEIGMQDYRP-SVBPBHIXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound